1-(2-bromophenyl)benzo[e][1]benzofuran

C18H11BrO — CID 12028023

IUPAC1-(2-bromophenyl)benzo[e][1]benzofuran
SMILESBrc1ccccc1-c1coc2ccc3ccccc3c12
InChIInChI=1S/C18H11BrO/c19-16-8-4-3-7-14(16)15-11-20-17-10-9-12-5-1-2-6-13(12)18(15)17/h1-11H
InChIKeySCPJFJAELYUVML-UHFFFAOYSA-N
MW323.19 g/mol
LogP6.02
Rot. Bonds1

About 1-(2-bromophenyl)benzo[e][1]benzofuran

1-(2-bromophenyl)benzo[e][1]benzofuran (PubChem CID 12028023) has the molecular formula C18H11BrO and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(2-bromophenyl)benzo[e][1]benzofuran
PubChem CID12028023
Molecular FormulaC18H11BrO
Molecular Weight323.19 g/mol
Exact Mass322.00
IUPAC Name1-(2-bromophenyl)benzo[e][1]benzofuran
SMILESBrc1ccccc1-c1coc2ccc3ccccc3c12
InChIInChI=1S/C18H11BrO/c19-16-8-4-3-7-14(16)15-11-20-17-10-9-12-5-1-2-6-13(12)18(15)17/h1-11H
InChIKeySCPJFJAELYUVML-UHFFFAOYSA-N
XLogP6.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.19
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-2-ylbenzo[e][1]benzofuran
CID 151742826
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507
1-methylbenzo[e][1]benzofuran
CID 13085655
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole
CID 174306972
1-prop-2-enylbenzo[e][1]benzofuran
CID 57196603
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 167424257
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
1-(2-bromophenyl)triphenylene
CID 134258474
1-(3-methylbut-1-enyl)benzo[e][1]benzofuran
CID 173339815
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)benzo[e][1]benzofuran?
The IUPAC name of 1-(2-bromophenyl)benzo[e][1]benzofuran (CID 12028023) is 1-(2-bromophenyl)benzo[e][1]benzofuran.
What is the SMILES notation for 1-(2-bromophenyl)benzo[e][1]benzofuran?
The canonical SMILES for 1-(2-bromophenyl)benzo[e][1]benzofuran is Brc1ccccc1-c1coc2ccc3ccccc3c12.
What is the InChIKey of 1-(2-bromophenyl)benzo[e][1]benzofuran?
The InChIKey is SCPJFJAELYUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO/c19-16-8-4-3-7-14(16)15-11-20-17-10-9-12-5-1-2-6-13(12)18(15)17/h1-11H.
What are the key properties of 1-(2-bromophenyl)benzo[e][1]benzofuran?
1-(2-bromophenyl)benzo[e][1]benzofuran has a molecular weight of 323.19 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)benzo[e][1]benzofuran is sourced from PubChem (CID 12028023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).